SCHEMBL4459547

SCHEMBL4459547

O=C(O)NC1CC2(CCNCC2)CC1O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15653278 0.79 KDM1A (0.41) KDM1AMAOBCYP1A2CYP2D6KDM4E
SCHEMBL13708409 0.79 GAA (0.36) KDM1AMAOBKMT2A
SCHEMBL30842427 0.76 KDM1A (0.33) KDM1AMAOB
SCHEMBL15653706 0.69 EPHX1 (0.34) KDM4EKMT2AEPHX1
SCHEMBL21828806 0.69 ARG1 (0.36) KDM1AMAOBEPHX1
SCHEMBL18394460 0.69 CYP2C19 (0.61) KDM1AMAOBCYP1A2KDM4E
SCHEMBL15653919 0.68 EPHX1 (0.39) KDM1AMAOBCYP1A2CYP2D6KDM4E
Hydrochloric Acid SCHEMBL29031078 0.67 CYP2C19 (0.58) KDM1AMAOBCYP1A2KDM4E
SCHEMBL31405399 0.67 GRM2 (0.46) KDM4EKMT2A
SCHEMBL904126 0.67 ESR1 (0.36) KDM1AMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592334-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-20080139540-A1 6-[({3-hydroxy-8-[6-(methyloxy)-1,5-naphthyridin-4-yl]-8-azaspiro[4.5]dec-2-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3-on; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
EP-1846418-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
WO-2006081182-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139540-A1 6-[({3-hydroxy-8-[6-(methyloxy)-1,5-naphthyridin-4-yl]-8-azaspiro[4.5]dec-2-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3-on; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NT5C3B, NT5C, SPOUT1 KDM1A 1506/4885MAOB 1110/4885CYP1A2 2623/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.